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3-ALPHA-OXEPANOQUERCINIC-ACID-C;12-BETA,23-EPOXY-3-ALPHA,23-DIHYDROXY-24-METHYLLANOST-8-EN-26-OIC-ACID
SpectraBase Compound ID ByODC2vkbUt
InChI InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18?,19+,20-,23+,24-,25-,28-,29+,30+,31?/m1/s1
InChIKey PEJVRURWUPBFOY-GJUIAEAKSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjRjFbOmVF4
Name 3-ALPHA-OXEPANOQUERCINIC-ACID-C;12-BETA,23-EPOXY-3-ALPHA,23-DIHYDROXY-24-METHYLLANOST-8-EN-26-OIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18?,19+,20-,23+,24-,25-,28-,29+,30+,31?/m1/s1
InChIKey PEJVRURWUPBFOY-GJUIAEAKSA-N
Literature Reference Author J.ROESECKE,W.A.KOENIG
Literature Reference Citation PHYTOCHEM.,54,757(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00130-8
Molecular Weight 502.735 g/mol
Solvent CDCl3
Source File Reference UWLU1453